ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate

C13H20N4O3S — CID 133394837

IUPACethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C13H20N4O3S/c1-3-20-11(18)8-14-12(19)10-4-6-17(7-5-10)13-16-15-9(2)21-13/h10H,3-8H2,1-2H3,(H,14,19)
InChIKeyJRXDAZLIDYTXCO-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.74
Rot. Bonds5

About ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate

ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate (PubChem CID 133394837) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
PubChem CID133394837
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Nameethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C13H20N4O3S/c1-3-20-11(18)8-14-12(19)10-4-6-17(7-5-10)13-16-15-9(2)21-13/h10H,3-8H2,1-2H3,(H,14,19)
InChIKeyJRXDAZLIDYTXCO-UHFFFAOYSA-N
XLogP0.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960
ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate
CID 122142945
N,N-diethyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 75519593
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
N-butyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958204
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20889517
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate (CID 133394837) is ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CCN(c2nnc(C)s2)CC1.
What is the InChIKey of ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate?
The InChIKey is JRXDAZLIDYTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-3-20-11(18)8-14-12(19)10-4-6-17(7-5-10)13-16-15-9(2)21-13/h10H,3-8H2,1-2H3,(H,14,19).
What are the key properties of ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate?
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate has a molecular weight of 312.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 133394837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).